Table 7.

MMGBSA binding energy in kcal/mol for protein–TQ complexes.

TQ in Complex with:	∆EVDW (van der Waal’s Energy)	∆Eelec (Coulombic Energy)	∆GGB (Generalized-Born Polar Solvation Energy)	∆ESURF (Non-Polar Solvation Energy)	∆GMMGBSA (Protein–Ligand Binding Energy)
D-alanyl-D-alanine synthetase	−21.04	−2.73	13.30	−3.12	−13.59 ± 2.65
Transcriptional regulator qacR	−17.84	−6.74	14.98	−3.03	−12.62 ± 4.09
N-myristoyltransferase	−18.35	−3.90	14.26	−2.85	−10.83 ± 3.33
NADPH-dependent D-xylose reductase	−21.41	−2.13	13.68	−3.06	−12.92 ± 2.16